N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide

C16H23N3OS — CID 9192834

IUPACN-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3OS/c1-2-13-14(21-19-18-13)15(20)17-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,2-9H2,1H3,(H,17,20)
InChIKeyNHQDSBKPKSUAGZ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.05
Rot. Bonds4

About N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide

N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 9192834) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID9192834
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H23N3OS/c1-2-13-14(21-19-18-13)15(20)17-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,2-9H2,1H3,(H,17,20)
InChIKeyNHQDSBKPKSUAGZ-UHFFFAOYSA-N
XLogP3.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[2-(1-adamantyl)acetyl]-4-ethylthiadiazole-5-carbohydrazide
CID 31800500
N-[[1-(chloromethyl)cyclopropyl]methyl]-4-ethylthiadiazole-5-carboxamide
CID 115456007
1-[[(4-ethylthiadiazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361690
4-ethyl-N-[2-(methylamino)ethyl]thiadiazole-5-carboxamide
CID 65210280
4-ethyl-N-[(3-methylpiperidin-3-yl)methyl]thiadiazole-5-carboxamide
CID 113400500
4-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]thiadiazole-5-carboxamide;hydrochloride
CID 120892171
N-cyclopentyl-4-ethylthiadiazole-5-carboxamide
CID 51204913
4-ethyl-N-[2-(2-methylpropanoylamino)ethyl]thiadiazole-5-carboxamide
CID 24515338
4-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide;hydrochloride
CID 119510567
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
4-ethylthiadiazole-5-carbonyl chloride
CID 18524959

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide (CID 9192834) is N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is NHQDSBKPKSUAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-2-13-14(21-19-18-13)15(20)17-9-16-6-10-3-11(7-16)5-12(4-10)8-16/h10-12H,2-9H2,1H3,(H,17,20).
What are the key properties of N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide?
N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 9192834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).